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2,4,6-trinitrobenzoic acid
SpectraBase Compound ID Hq7spmymfcD
InChI InChI=1S/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)
InChIKey KAQBNBSMMVTKRN-UHFFFAOYSA-N
Mol Weight 257.11 g/mol
Molecular Formula C7H3N3O8
Exact Mass 256.992014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RbW6ne42am
Name Benzoic acid, 2,4,6-trinitro-
Alternate Name(s) 2,4,6-Trinitrobenzoic acid Benzoic acid, trinitro- Benzoic acid, trinitro- (dry) Benzoic acid, trinitro- (wet) s-Trinitrobenzoic acid sym-Trinitrobenzoic acid Trinitrobenzoic acid Trinitrobenzoic acid, dry Trinitrobenzoic acid, wet EINECS 204-958-2 HSDB 1010 NSC 133453 UN0215 UN1355
CAS Registry Number 129-66-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3N3O8
InChI InChI=1S/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)
InChIKey KAQBNBSMMVTKRN-UHFFFAOYSA-N
Molecular Weight 257.114 g/mol
SMILES OC(=O)c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O
SPLASH splash10-03di-0390000000-32a544b0ecb5d46d573d
Source of Spectrum KO-11-598-0
Wiley ID 1260458